methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate

C19H28N2O2 — CID 146045375

IUPACmethyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
SMILESCOC(=O)C(c1ccccc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-23-19(22)18(17-5-3-2-4-6-17)21-13-9-16(10-14-21)15-7-11-20-12-8-15/h2-6,15-16,18,20H,7-14H2,1H3
InChIKeyAJTKAOLAICNBSZ-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.61
Rot. Bonds4

About methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate

methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate (PubChem CID 146045375) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
PubChem CID146045375
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namemethyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
SMILESCOC(=O)C(c1ccccc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-23-19(22)18(17-5-3-2-4-6-17)21-13-9-16(10-14-21)15-7-11-20-12-8-15/h2-6,15-16,18,20H,7-14H2,1H3
InChIKeyAJTKAOLAICNBSZ-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894645
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
methyl 2-(3-chlorophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetate
CID 120850183
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
methyl 2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 54890533
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate
CID 114719723

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate?
The IUPAC name of methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate (CID 146045375) is methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate is COC(=O)C(c1ccccc1)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate?
The InChIKey is AJTKAOLAICNBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-19(22)18(17-5-3-2-4-6-17)21-13-9-16(10-14-21)15-7-11-20-12-8-15/h2-6,15-16,18,20H,7-14H2,1H3.
What are the key properties of methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate?
methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate has a molecular weight of 316.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate is sourced from PubChem (CID 146045375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).